4-(4-azido-1,5,5,8,8-pentamethyl-6,7-dihydroanthracen-2-yl)benzoic acid

Systemtic Name: 4-(4-azido-1,5,5,8,8-pentamethyl-6,7-dihydroanthracen-2-yl)benzoic acid Openeye Name: 4-(4-azido-1,5,5,8,8-pentamethyl-6,7-dihydroanthracen-2-yl)benzoic acid CAS Name: 4-(4-azido-1,5,5,8,8-pentamethyl-6,7-dihydroanthracen-2-yl)benzoic acid IUPAC Name: 4-(4-azido-1,5,5,8,8-pentamethyl-6,7-dihydroanthracen-2-yl)benzoic acid Traditional Name: 4-(4-azido-1,5,5,8,8-pentamethyl-6,7-dihydroanthracen-2-yl)benzoic acid Formula: C26H27N3O2 MolecularWeight: 413.51148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C2=CC3=C(C=C12)C(CCC3(C)C)(C)C)N=[N+]=[N-])C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CC1=C(C=C(C2=CC3=C(C=C12)C(CCC3(C)C)(C)C)N=[N+]=[N-])C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C26H27N3O2/c1-15-18(16-6-8-17(9-7-16)24(30)31)14-23(28-29-27)20-13-22-21(12-19(15)20)25(2,3)10-11-26(22,4)5/h6-9,12-14H,10-11H2,1-5H3,(H,30,31)